HRID551487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22382040

2-Chloro-6-methylbenzoyl chloride

C8H6Cl2O

结构：CCCNCC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F

HCID59324137

未命名化合物

PRODUCTS

生成物

结构：CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1Cl

HCID59324122

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6212

Chloroform

CHCl3

PROCEDURE

实验过程

Prepared similarly to Example 48 by reaction of 2-chloro-6-methylbenzoylchloride and 1,1,1-trifluoro-3-{[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}-2-[(propylamino)methyl]-2-propanol in chloroform over 42 hours. Purification by mass directed autopreparation (System B) resulted in separation of atropisomers of the title compound:

WORKUP

后处理

customPurification by mass

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3ee8940c0174d59a04173ccd8e5eb8e
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07947727B2
来源说明: uspto-grants-2011_05

反应 SMILES

[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([CH3:11])[C:3]=1[C:4](Cl)=[O:5].[F:12][C:13]([F:40])([F:39])[C:14]([CH2:34][NH:35][CH2:36][CH2:37]C)([OH:33])[CH2:15][NH:16][C:17]1[CH:25]=[CH:24][CH:23]=[C:22]2[C:18]=1[CH:19]=[N:20][N:21]2[C:26]1[CH:31]=[CH:30][C:29]([F:32])=[CH:28][CH:27]=1>C(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]([CH3:11])[C:3]=1[C:4]([N:35]([CH2:36][CH3:37])[CH2:34][C:14]([CH2:15][NH:16][C:17]1[CH:25]=[CH:24][CH:23]=[C:22]2[C:18]=1[CH:19]=[N:20][N:21]2[C:26]1[CH:27]=[CH:28][C:29]([F:32])=[CH:30][CH:31]=1)([OH:33])[C:13]([F:12])([F:40])[F:39])=[O:5]